6-methyl-1,4-dioxa-8-thiaspiro[4.5]decane

C8H14O2S — CID 20714664

IUPAC6-methyl-1,4-dioxa-8-thiaspiro[4.5]decane
SMILESCC1CSCCC12OCCO2
InChIInChI=1S/C8H14O2S/c1-7-6-11-5-2-8(7)9-3-4-10-8/h7H,2-6H2,1H3
InChIKeyBFPWBWCLLHKMMA-UHFFFAOYSA-N
MW174.26 g/mol
LogP1.50
Rot. Bonds

About 6-methyl-1,4-dioxa-8-thiaspiro[4.5]decane

6-methyl-1,4-dioxa-8-thiaspiro[4.5]decane (PubChem CID 20714664) has the molecular formula C8H14O2S and a molecular weight of 174.26 g/mol. Its IUPAC name is 6-methyl-1,4-dioxa-8-thiaspiro[4.5]decane.

Molecular Properties

Compound Name6-methyl-1,4-dioxa-8-thiaspiro[4.5]decane
PubChem CID20714664
Molecular FormulaC8H14O2S
Molecular Weight174.26 g/mol
Exact Mass174.07
IUPAC Name6-methyl-1,4-dioxa-8-thiaspiro[4.5]decane
SMILESCC1CSCCC12OCCO2
InChIInChI=1S/C8H14O2S/c1-7-6-11-5-2-8(7)9-3-4-10-8/h7H,2-6H2,1H3
InChIKeyBFPWBWCLLHKMMA-UHFFFAOYSA-N
XLogP1.50
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.26
LogP ≤ 51.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-1,4-dioxa-8-thiaspiro[4.5]decane?
The IUPAC name of 6-methyl-1,4-dioxa-8-thiaspiro[4.5]decane (CID 20714664) is 6-methyl-1,4-dioxa-8-thiaspiro[4.5]decane.
What is the SMILES notation for 6-methyl-1,4-dioxa-8-thiaspiro[4.5]decane?
The canonical SMILES for 6-methyl-1,4-dioxa-8-thiaspiro[4.5]decane is CC1CSCCC12OCCO2.
What is the InChIKey of 6-methyl-1,4-dioxa-8-thiaspiro[4.5]decane?
The InChIKey is BFPWBWCLLHKMMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14O2S/c1-7-6-11-5-2-8(7)9-3-4-10-8/h7H,2-6H2,1H3.
What are the key properties of 6-methyl-1,4-dioxa-8-thiaspiro[4.5]decane?
6-methyl-1,4-dioxa-8-thiaspiro[4.5]decane has a molecular weight of 174.26 g/mol, XLogP of 1.50, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-1,4-dioxa-8-thiaspiro[4.5]decane is sourced from PubChem (CID 20714664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).